C186-0448 Screening compound: 1-(2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetyl)piperidine-4-carboxamide

C186-0448 Screening compound: 1-(2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetyl)piperidine-4-carboxamide
C186-0448 Screening compound: 1-(2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C186-0448
1-(2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetyl)piperidine-4-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C186-0448

Molecular Formula

C22H31N5O5S2 (C22 H31 N5 O5 S2)

Compound Name

1-(2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetyl)piperidine-4-carboxamide

IUPAC name

1-(2-{5-[(35-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetyl)piperidine-4-carboxamide

SMILES

CC(CC(C)C1)CN1S(c1c(C)sc(N=CN2CC(N(CC3)CCC3C(N)=O)=O)c1C2=O)(=O)=O

InChI

InChI=1S/C22H31N5O5S2/c1-13-8-14(2)10-27(9-13)34(31,32)19-15(3)33-21-18(19)22(30)26(12-24-21)11-17(28)25-6-4-16(5-7-25)20(23)29/h12-14,16H,4-11H2,1-3H3,(H2,23,29)

InChI Key

OIXAWRUUKMWJFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.487

Distribution Coefficient, logD

0.487

Water Solubility, LogSw

-1.44

Polar Surface Area

108.270

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.60

C186-0448 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C186-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C186-0448?
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What is the minimum amount of C186-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C186-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C186-0448
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C186-0448 available by request